Acceso abierto

Stability and the Electronic Structure of XB2 (X = Pt, Ir, Pd, Rh, Os) Diborides


Cite

1. Thornton, A., & Wilks, G. (1978). Clean surface reactions between diamond and steel. Nature, 274, 792 – 793.10.1038/274792a0Search in Google Scholar

2. Solozhenko, V. L., Andrault, D., Fiquet, G., Mezouar, M., & Rubie, D. C. (2001). Synthesis of superhard cubic BC2N. Appl. Phys. Lett. 78(10), 1385-1387.10.1063/1.1337623Search in Google Scholar

3. Haines, J., Léger, J. M., & Bocquillon, G. (2001). Synthesis and Design of Superhard Materials. Annu. Rev. Mater. Res., 31(1), 1-23.10.1146/annurev.matsci.31.1.1Open DOISearch in Google Scholar

4. Kaner, R. B., Gilman, J. J., & Tolbert, S. H. (2005). Materials science. Designing superhard materials. Science, 308, 1268-1269.10.1126/science.110983015919983Search in Google Scholar

5. Hebbache, M., & Zemzemi, M. (2004). Ab initio study of high-pressure behavior of a low compressibility metal and a hard material: Osmium and diamond. Phys. Rev. B, 70, 224107.Search in Google Scholar

6. Roof, R. B. Jr., & Kempter, C. P. (1962). New orthorhombic phases in the Ru-B and Os-B. J. Chem. Phys. 37(7), 1473 – 1478.10.1063/1.1733309Search in Google Scholar

7. Stuparevic, L., & Zivkovic, D. (2004). Phase diagram investigation and thermodynamic study of OsB system. J. Ther. Anal. Calori., 76(3), 975-983.10.1023/B:JTAN.0000032283.70279.03Open DOISearch in Google Scholar

8. Cumberland, R. W., Weinberger, M. B., Gilman, J. J., Clark, S. M., Tolbert, S. H., & Kaner, R. B. (2005). Osmium diboride, an ultra-incompressible, hard material. J. Am. Chem. Soc., 127, 7264 – 7265.10.1021/ja043806y15898746Search in Google Scholar

9. Wang, D. Y., Wang, B., & Wang, Y. X. (2012). New crystal structures of IrB and IrB2: First-principles calculations. J. Phys. Chem. C, 116, 21961 – 21966.10.1021/jp306687ySearch in Google Scholar

10. Chu, B., Li, D., Bao, K., Tian, F., Duan, D., Sha, X., & Cui, T. (2014). The crystal structure of IrB2: A first-principle calculation. RSC Adv., 4, 63442 – 63446.10.1039/C4RA11331DSearch in Google Scholar

11. Chu, B., Li, D., Bao, K., Tian, F., Duan, D., Sha, X., Liu, Y., & Cui, T. (2015). Structural, mechanical, and electronic properties of Rh2B and RhB2: First-principles calculations. Scientific Reports 5, doi: 10.1038/srep10500.10.1038/srep10500448519926123399Open DOISearch in Google Scholar

12. Wolff, I.M., & Hill, P.J. (2002). Platinum Metals-Based Intermetallics for High-Temperature Service. Platinum Metals Review, 44(4), 158-166.Search in Google Scholar

13. Haines, J., Léger, J. M., & Atouf, A. (1995). Crystal Structure and Equation of State of Cotunnite-Type Zirconia. J. Am. Ceram. Soc. 78(2), 445-448.10.1111/j.1151-2916.1995.tb08822.xOpen DOISearch in Google Scholar

14. Teter, D.M. (1998). Computational Alchemy: The Search for New Superhard Materials. Mater. Res. Soc. Bull., 23(1), 22-27.10.1557/S0883769400031420Open DOISearch in Google Scholar

15. Lundin, U., Fast, L., Nordstrom, L., Johansson, B., Wills, J. M., & Eriksson, O. (1998). Transition-metal dioxides with a bulk modulus comparable to diamond. Phys. Rev. B, 57, 4979-4982.10.1103/PhysRevB.57.4979Open DOISearch in Google Scholar

16. Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., & Wentzcovitch, R. M. (2009). QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials. J. Phys: Cond. Matt., 21(39), 395502.Search in Google Scholar

17. Perdew, J.P., Burke, K., & Ernzerhof, M. (1996). Generalized Gradient Approximation Made Simple. Physical Review Letters, 77, 3865.10.1103/PhysRevLett.77.386510062328Search in Google Scholar

18. Monkhorst, H.J., & Pack, J.D. (1976). Special points for Brillouin-zone integrations. Phys. Rev. B, 13, 5188 – 5192.10.1103/PhysRevB.13.5188Open DOISearch in Google Scholar

19. Birch, F. (1947). Finite Elastic Strain of Cubic Crystal. Phys. Rev., 71, 809-824.10.1103/PhysRev.71.809Search in Google Scholar

20. Staple, C., Mannstadt, W., Asahi, R., & Freeman, A.J. (2001). Electronic structure and physical properties of early transition metal mononitrides: Density-functional theory LDA, GGA, and screened-exchange LDA FLAPW calculations. Phys. Rev. B, 63(15), 155106(1-11).Search in Google Scholar

21. James, A.M. & Lord, M.P. (1992). Macmillan’ s Chemical and Physical Data, London: Macmillan.Search in Google Scholar

22. Kaye, G.W.C. & Laby, T. H. (1993). Tables of physical and chemical constants (15th ed.), London: Longman.Search in Google Scholar

eISSN:
0868-8257
Idioma:
Inglés
Calendario de la edición:
6 veces al año
Temas de la revista:
Physics, Technical and Applied Physics